| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 18 | Yes |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.76 | 5.51 | -53.25 | 2 | 5 | -1 | 82 | 242.258 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 5.36 | -71.09 | 3 | 5 | 0 | 84 | 243.266 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.76 | 5.82 | -81.91 | 4 | 5 | 1 | 85 | 244.274 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
